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result sql = Experimental and theoretical study of the atmospheric chemistry and global warming potential of SO2F2.
Experimental and theoretical study of the atmospheric chemistry and global warming potential of SO2F2.
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char = t;code = 116
char = w;code = 119
char = o;code = 111
char = -;code = 45
char = d;code = 100
char = i;code = 105
char = m;code = 109
char = e;code = 101
char = n;code = 110
char = s;code = 115
char = i;code = 105
char = o;code = 111
char = n;code = 110
char = a;code = 97
char = l;code = 108
char = ;code = 32
char = m;code = 109
char = o;code = 111
char = d;code = 100
char = e;code = 101
char = l;code = 108
char = ;code = 32
char = t;code = 116
char = o;code = 111
char = ;code = 32
char = b;code = 98
char = e;code = 101
char = ;code = 32
char = 6;code = 54
char = 3;code = 51
char = 0;code = 48
char = ;code = 32
char = y;code = 121
char = e;code = 101
char = a;code = 97
char = r;code = 114
char = s;code = 115
char = .;code = 46
char = ;code = 32
char = T;code = 84
char = h;code = 104
char = e;code = 101
char = ;code = 32
char = g;code = 103
char = l;code = 108
char = o;code = 111
char = b;code = 98
char = a;code = 97
char = l;code = 108
char = ;code = 32
char = w;code = 119
char = a;code = 97
char = r;code = 114
char = m;code = 109
char = i;code = 105
char = n;code = 110
char = g;code = 103
char = ;code = 32
char = p;code = 112
char = o;code = 111
char = t;code = 116
char = e;code = 101
char = n;code = 110
char = t;code = 116
char = i;code = 105
char = a;code = 97
char = l;code = 108
char = ;code = 32
char = (;code = 40
char = G;code = 71
char = W;code = 87
char = P;code = 80
char = );code = 41
char = ;code = 32
char = f;code = 102
char = o;code = 111
char = r;code = 114
char = ;code = 32
char = S;code = 83
char = O;code = 79
char = 2;code = 50
char = F;code = 70
char = 2;code = 50
char = ;code = 32
char = w;code = 119
char = a;code = 97
char = s;code = 115
char = ;code = 32
char = c;code = 99
char = a;code = 97
char = l;code = 108
char = c;code = 99
char = u;code = 117
char = l;code = 108
char = a;code = 97
char = t;code = 116
char = e;code = 101
char = d;code = 100
char = ;code = 32
char = t;code = 116
char = o;code = 111
char = ;code = 32
char = b;code = 98
char = e;code = 101
char = ;code = 32
char = 4;code = 52
char = 7;code = 55
char = 8;code = 56
char = 0;code = 48
char = ;code = 32
char = f;code = 102
char = o;code = 111
char = r;code = 114
char = ;code = 32
char = t;code = 116
char = h;code = 104
char = e;code = 101
char = ;code = 32
char = 1;code = 49
char = 0;code = 48
char = 0;code = 48
char = ;code = 32
char = y;code = 121
char = e;code = 101
char = a;code = 97
char = r;code = 114
char = ;code = 32
char = t;code = 116
char = i;code = 105
char = m;code = 109
char = e;code = 101
char = ;code = 32
char = h;code = 104
char = o;code = 111
char = r;code = 114
char = i;code = 105
char = z;code = 122
char = o;code = 111
char = n;code = 110
char = ;code = 32
char = u;code = 117
char = s;code = 115
char = i;code = 105
char = n;code = 110
char = g;code = 103
char = ;code = 32
char = i;code = 105
char = n;code = 110
char = f;code = 102
char = r;code = 114
char = a;code = 97
char = r;code = 114
char = e;code = 101
char = d;code = 100
char = ;code = 32
char = a;code = 97
char = b;code = 98
char = s;code = 115
char = o;code = 111
char = r;code = 114
char = p;code = 112
char = t;code = 116
char = i;code = 105
char = o;code = 111
char = n;code = 110
char = ;code = 32
char = c;code = 99
char = r;code = 114
char = o;code = 111
char = s;code = 115
char = s;code = 115
char = ;code = 32
char = s;code = 115
char = e;code = 101
char = c;code = 99
char = t;code = 116
char = i;code = 105
char = o;code = 111
char = n;code = 110
char = s;code = 115
char = ;code = 32
char = m;code = 109
char = e;code = 101
char = a;code = 97
char = s;code = 115
char = u;code = 117
char = r;code = 114
char = e;code = 101
char = d;code = 100
char = ;code = 32
char = i;code = 105
char = n;code = 110
char = ;code = 32
char = t;code = 116
char = h;code = 104
char = i;code = 105
char = s;code = 115
char = ;code = 32
char = w;code = 119
char = o;code = 111
char = r;code = 114
char = k;code = 107
char = ;code = 32
char = a;code = 97
char = n;code = 110
char = d;code = 100
char = ;code = 32
char = a;code = 97
char = ;code = 32
char = S;code = 83
char = O;code = 79
char = 2;code = 50
char = F;code = 70
char = 2;code = 50
char = ;code = 32
char = g;code = 103
char = l;code = 108
char = o;code = 111
char = b;code = 98
char = a;code = 97
char = l;code = 108
char = l;code = 108
char = y;code = 121
char = ;code = 32
char = a;code = 97
char = v;code = 118
char = e;code = 101
char = r;code = 114
char = a;code = 97
char = g;code = 103
char = e;code = 101
char = d;code = 100
char = ;code = 32
char = a;code = 97
char = t;code = 116
char = m;code = 109
char = o;code = 111
char = s;code = 115
char = p;code = 112
char = h;code = 104
char = e;code = 101
char = r;code = 114
char = i;code = 105
char = c;code = 99
char = ;code = 32
char = l;code = 108
char = i;code = 105
char = f;code = 102
char = e;code = 101
char = t;code = 116
char = i;code = 105
char = m;code = 109
char = e;code = 101
char = ;code = 32
char = o;code = 111
char = f;code = 102
char = ;code = 32
char = 3;code = 51
char = 6;code = 54
char = ;code = 32
char = y;code = 121
char = e;code = 101
char = a;code = 97
char = r;code = 114
char = s;code = 115
char = ,;code = 44
char = ;code = 32
char = w;code = 119
char = h;code = 104
char = i;code = 105
char = c;code = 99
char = h;code = 104
char = ;code = 32
char = i;code = 105
char = s;code = 115
char = ;code = 32
char = d;code = 100
char = e;code = 101
char = t;code = 116
char = e;code = 101
char = r;code = 114
char = m;code = 109
char = i;code = 105
char = n;code = 110
char = e;code = 101
char = d;code = 100
char = ;code = 32
char = p;code = 112
char = r;code = 114
char = i;code = 105
char = m;code = 109
char = a;code = 97
char = r;code = 114
char = i;code = 105
char = l;code = 108
char = y;code = 121
char = ;code = 32
char = b;code = 98
char = y;code = 121
char = ;code = 32
char = o;code = 111
char = c;code = 99
char = e;code = 101
char = a;code = 97
char = n;code = 110
char = ;code = 32
char = u;code = 117
char = p;code = 112
char = t;code = 116
char = a;code = 97
char = k;code = 107
char = e;code = 101
char = ,;code = 44
char = ;code = 32
char = r;code = 114
char = e;code = 101
char = p;code = 112
char = o;code = 111
char = r;code = 114
char = t;code = 116
char = e;code = 101
char = d;code = 100
char = ;code = 32
char = b;code = 98
char = y;code = 121
char = ;code = 32
char = M;code = 77
char = &;code = 38
char = #;code = 35
char = 2;code = 50
char = 5;code = 53
char = 2;code = 50
char = ;;code = 59
char = h;code = 104
char = l;code = 108
char = e;code = 101
char = ;code = 32
char = e;code = 101
char = t;code = 116
char = ;code = 32
char = a;code = 97
char = l;code = 108
char = .;code = 46
char = ;code = 32
char = (;code = 40
char = M;code = 77
char = &;code = 38
char = #;code = 35
char = 2;code = 50
char = 5;code = 53
char = 2;code = 50
char = ;;code = 59
char = h;code = 104
char = l;code = 108
char = e;code = 101
char = ,;code = 44
char = ;code = 32
char = J;code = 74
char = .;code = 46
char = ;;code = 59
char = ;code = 32
char = H;code = 72
char = u;code = 117
char = a;code = 97
char = n;code = 110
char = g;code = 103
char = ,;code = 44
char = ;code = 32
char = J;code = 74
char = .;code = 46
char = ;;code = 59
char = ;code = 32
char = W;code = 87
char = e;code = 101
char = i;code = 105
char = s;code = 115
char = s;code = 115
char = ,;code = 44
char = ;code = 32
char = R;code = 82
char = .;code = 46
char = ;code = 32
char = F;code = 70
char = .;code = 46
char = ;;code = 59
char = ;code = 32
char = P;code = 80
char = r;code = 114
char = i;code = 105
char = n;code = 110
char = n;code = 110
char = ,;code = 44
char = ;code = 32
char = R;code = 82
char = .;code = 46
char = ;code = 32
char = G;code = 71
char = .;code = 46
char = ;;code = 59
char = ;code = 32
char = M;code = 77
char = i;code = 105
char = l;code = 108
char = l;code = 108
char = e;code = 101
char = r;code = 114
char = ,;code = 44
char = ;code = 32
char = B;code = 66
char = .;code = 46
char = ;code = 32
char = R;code = 82
char = .;code = 46
char = ;;code = 59
char = ;code = 32
char = S;code = 83
char = a;code = 97
char = l;code = 108
char = a;code = 97
char = m;code = 109
char = e;code = 101
char = h;code = 104
char = ,;code = 44
char = ;code = 32
char = P;code = 80
char = .;code = 46
char = ;code = 32
char = K;code = 75
char = .;code = 46
char = ;;code = 59
char = ;code = 32
char = H;code = 72
char = a;code = 97
char = r;code = 114
char = t;code = 116
char = h;code = 104
char = ,;code = 44
char = ;code = 32
char = C;code = 67
char = .;code = 46
char = ;code = 32
char = M;code = 77
char = .;code = 46
char = ;;code = 59
char = ;code = 32
char = F;code = 70
char = r;code = 114
char = a;code = 97
char = s;code = 115
char = e;code = 101
char = r;code = 114
char = ,;code = 44
char = ;code = 32
char = P;code = 80
char = .;code = 46
char = ;code = 32
char = J;code = 74
char = .;code = 46
char = ;;code = 59
char = ;code = 32
char = P;code = 80
char = o;code = 111
char = r;code = 114
char = t;code = 116
char = e;code = 101
char = r;code = 114
char = ,;code = 44
char = ;code = 32
char = L;code = 76
char = .;code = 46
char = ;code = 32
char = W;code = 87
char = .;code = 46
char = ;;code = 59
char = ;code = 32
char = G;code = 71
char = r;code = 114
char = e;code = 101
char = a;code = 97
char = l;code = 108
char = l;code = 108
char = y;code = 121
char = ,;code = 44
char = ;code = 32
char = B;code = 66
char = .;code = 46
char = ;code = 32
char = R;code = 82
char = .;code = 46
char = ;;code = 59
char = ;code = 32
char = O;code = 79
char = ';code = 39
char = D;code = 68
char = o;code = 111
char = h;code = 104
char = e;code = 101
char = r;code = 114
char = t;code = 116
char = y;code = 121
char = ,;code = 44
char = ;code = 32
char = S;code = 83
char = .;code = 46
char = ;;code = 59
char = ;code = 32
char = S;code = 83
char = i;code = 105
char = m;code = 109
char = o;code = 111
char = n;code = 110
char = d;code = 100
char = s;code = 115
char = ,;code = 44
char = ;code = 32
char = P;code = 80
char = .;code = 46
char = ;code = 32
char = G;code = 71
char = .;code = 46
char = ;code = 32
char = J;code = 74
char = <;code = 60
char = b;code = 98
char = >;code = 62
char = ;code = 32
char = G;code = 71
char = e;code = 101
char = o;code = 111
char = p;code = 112
char = h;code = 104
char = y;code = 121
char = s;code = 115
char = :;code = 58
char = ;code = 32
char = <;code = 60
char = /;code = 47
char = b;code = 98
char = >;code = 62
char = ;code = 32
char = R;code = 82
char = e;code = 101
char = s;code = 115
char = .;code = 46
char = ,;code = 44
char = ;code = 32
char = s;code = 115
char = u;code = 117
char = b;code = 98
char = m;code = 109
char = i;code = 105
char = t;code = 116
char = t;code = 116
char = e;code = 101
char = d;code = 100
char = ;code = 32
char = f;code = 102
char = o;code = 111
char = r;code = 114
char = ;code = 32
char = p;code = 112
char = u;code = 117
char = b;code = 98
char = l;code = 108
char = i;code = 105
char = c;code = 99
char = a;code = 97
char = t;code = 116
char = i;code = 105
char = o;code = 111
char = n;code = 110
char = ,;code = 44
char = ;code = 32
char = 2;code = 50
char = 0;code = 48
char = 0;code = 48
char = 8;code = 56
char = );code = 41
char = .;code = 46
char = ;code = 32
char = R;code = 82
char = e;code = 101
char = a;code = 97
char = c;code = 99
char = t;code = 116
char = i;code = 105
char = o;code = 111
char = n;code = 110
char = ;code = 32
char = c;code = 99
char = h;code = 104
char = a;code = 97
char = n;code = 110
char = n;code = 110
char = e;code = 101
char = l;code = 108
char = s;code = 115
char = ;code = 32
char = a;code = 97
char = n;code = 110
char = d;code = 100
char = ;code = 32
char = t;code = 116
char = h;code = 104
char = e;code = 101
char = ;code = 32
char = p;code = 112
char = o;code = 111
char = s;code = 115
char = s;code = 115
char = i;code = 105
char = b;code = 98
char = l;code = 108
char = e;code = 101
char = ;code = 32
char = f;code = 102
char = o;code = 111
char = r;code = 114
char = m;code = 109
char = a;code = 97
char = t;code = 116
char = i;code = 105
char = o;code = 111
char = n;code = 110
char = ;code = 32
char = o;code = 111
char = f;code = 102
char = ;code = 32
char = s;code = 115
char = t;code = 116
char = a;code = 97
char = b;code = 98
char = l;code = 108
char = e;code = 101
char = ;code = 32
char = a;code = 97
char = d;code = 100
char = d;code = 100
char = u;code = 117
char = c;code = 99
char = t;code = 116
char = s;code = 115
char = ;code = 32
char = i;code = 105
char = n;code = 110
char = ;code = 32
char = r;code = 114
char = e;code = 101
char = a;code = 97
char = c;code = 99
char = t;code = 116
char = i;code = 105
char = o;code = 111
char = n;code = 110
char = s;code = 115
char = ;code = 32
char = 1;code = 49
char = ;code = 32
char = a;code = 97
char = n;code = 110
char = d;code = 100
char = ;code = 32
char = 4;code = 52
char = ;code = 32
char = w;code = 119
char = e;code = 101
char = r;code = 114
char = e;code = 101
char = ;code = 32
char = e;code = 101
char = v;code = 118
char = a;code = 97
char = l;code = 108
char = u;code = 117
char = a;code = 97
char = t;code = 116
char = e;code = 101
char = d;code = 100
char = ;code = 32
char = u;code = 117
char = s;code = 115
char = i;code = 105
char = n;code = 110
char = g;code = 103
char = ;code = 32
char = a;code = 97
char = b;code = 98
char = ;code = 32
char = i;code = 105
char = n;code = 110
char = i;code = 105
char = t;code = 116
char = i;code = 105
char = o;code = 111
char = ,;code = 44
char = ;code = 32
char = C;code = 67
char = C;code = 67
char = S;code = 83
char = D;code = 68
char = (;code = 40
char = T;code = 84
char = );code = 41
char = ,;code = 44
char = ;code = 32
char = a;code = 97
char = n;code = 110
char = d;code = 100
char = ;code = 32
char = d;code = 100
char = e;code = 101
char = n;code = 110
char = s;code = 115
char = i;code = 105
char = t;code = 116
char = y;code = 121
char = ;code = 32
char = f;code = 102
char = u;code = 117
char = n;code = 110
char = c;code = 99
char = t;code = 116
char = i;code = 105
char = o;code = 111
char = n;code = 110
char = a;code = 97
char = l;code = 108
char = ;code = 32
char = t;code = 116
char = h;code = 104
char = e;code = 101
char = o;code = 111
char = r;code = 114
char = y;code = 121
char = ,;code = 44
char = ;code = 32
char = B;code = 66
char = 3;code = 51
char = P;code = 80
char = 8;code = 56
char = 6;code = 54
char = ,;code = 44
char = ;code = 32
char = q;code = 113
char = u;code = 117
char = a;code = 97
char = n;code = 110
char = t;code = 116
char = u;code = 117
char = m;code = 109
char = ;code = 32
char = m;code = 109
char = e;code = 101
char = c;code = 99
char = h;code = 104
char = a;code = 97
char = n;code = 110
char = i;code = 105
char = c;code = 99
char = a;code = 97
char = l;code = 108
char = ;code = 32
char = e;code = 101
char = l;code = 108
char = e;code = 101
char = c;code = 99
char = t;code = 116
char = r;code = 114
char = o;code = 111
char = n;code = 110
char = i;code = 105
char = c;code = 99
char = ;code = 32
char = s;code = 115
char = t;code = 116
char = r;code = 114
char = u;code = 117
char = c;code = 99
char = t;code = 116
char = u;code = 117
char = r;code = 114
char = e;code = 101
char = ;code = 32
char = c;code = 99
char = a;code = 97
char = l;code = 108
char = c;code = 99
char = u;code = 117
char = l;code = 108
char = a;code = 97
char = t;code = 116
char = i;code = 105
char = o;code = 111
char = n;code = 110
char = s;code = 115
char = .;code = 46
char = ;code = 32
char = T;code = 84
char = h;code = 104
char = e;code = 101
char = ;code = 32
char = m;code = 109
char = o;code = 111
char = s;code = 115
char = t;code = 116
char = ;code = 32
char = l;code = 108
char = i;code = 105
char = k;code = 107
char = e;code = 101
char = l;code = 108
char = y;code = 121
char = ;code = 32
char = r;code = 114
char = e;code = 101
char = a;code = 97
char = c;code = 99
char = t;code = 116
char = i;code = 105
char = o;code = 111
char = n;code = 110
char = ;code = 32
char = p;code = 112
char = r;code = 114
char = o;code = 111
char = d;code = 100
char = u;code = 117
char = c;code = 99
char = t;code = 116
char = ;code = 32
char = c;code = 99
char = h;code = 104
char = a;code = 97
char = n;code = 110
char = n;code = 110
char = e;code = 101
char = l;code = 108
char = s;code = 115
char = ;code = 32
char = w;code = 119
char = e;code = 101
char = r;code = 114
char = e;code = 101
char = ;code = 32
char = f;code = 102
char = o;code = 111
char = u;code = 117
char = n;code = 110
char = d;code = 100
char = ;code = 32
char = t;code = 116
char = o;code = 111
char = ;code = 32
char = b;code = 98
char = e;code = 101
char = ;code = 32
char = h;code = 104
char = i;code = 105
char = g;code = 103
char = h;code = 104
char = l;code = 108
char = y;code = 121
char = ;code = 32
char = e;code = 101
char = n;code = 110
char = d;code = 100
char = o;code = 111
char = t;code = 116
char = h;code = 104
char = e;code = 101
char = r;code = 114
char = m;code = 109
char = i;code = 105
char = c;code = 99
char = ,;code = 44
char = ;code = 32
char = c;code = 99
char = o;code = 111
char = n;code = 110
char = s;code = 115
char = i;code = 105
char = s;code = 115
char = t;code = 116
char = e;code = 101
char = n;code = 110
char = t;code = 116
char = ;code = 32
char = w;code = 119
char = i;code = 105
char = t;code = 116
char = h;code = 104
char = ;code = 32
char = t;code = 116
char = h;code = 104
char = e;code = 101
char = ;code = 32
char = u;code = 117
char = p;code = 112
char = p;code = 112
char = e;code = 101
char = r;code = 114
char = ;code = 32
char = l;code = 108
char = i;code = 105
char = m;code = 109
char = i;code = 105
char = t;code = 116
char = s;code = 115
char = ;code = 32
char = o;code = 111
char = f;code = 102
char = ;code = 32
char = t;code = 116
char = h;code = 104
char = e;code = 101
char = ;code = 32
char = r;code = 114
char = a;code = 97
char = t;code = 116
char = e;code = 101
char = ;code = 32
char = c;code = 99
char = o;code = 111
char = e;code = 101
char = f;code = 102
char = f;code = 102
char = i;code = 105
char = c;code = 99
char = i;code = 105
char = e;code = 101
char = n;code = 110
char = t;code = 116
char = s;code = 115
char = ;code = 32
char = m;code = 109
char = e;code = 101
char = a;code = 97
char = s;code = 115
char = u;code = 117
char = r;code = 114
char = e;code = 101
char = d;code = 100
char = ;code = 32
char = i;code = 105
char = n;code = 110
char = ;code = 32
char = t;code = 116
char = h;code = 104
char = i;code = 105
char = s;code = 115
char = ;code = 32
char = w;code = 119
char = o;code = 111
char = r;code = 114
char = k;code = 107
char = .;code = 46
char = <;code = 60
char = b;code = 98
char = r;code = 114
char = /;code = 47
char = >;code = 62
result sql = In this work, potential atmospheric loss processes for SO2F2, a commercially used biocide (fumigant), have been studied and its global warming potential calculated. Rate coefficients for the gas-phase reactions OH + SO2F2 --> products, k1, and Cl + SO2F2 --> products, k4, were determined using a relative rate technique to be k1 < 1 x 10(-16) cm3 molecule-1 s-1 at 296 and 333 K and k4(296 K) < 5 x 10(-17) cm3 molecule(-1) s(-1). UV absorption cross sections of SO2F2 were measured at 184.9, 193, and 213.9 nm, and its photolysis quantum yield at 193 nm was determined to be <0.02. The atmospheric lifetime of SO2F2 with respect to loss by OH, Cl, and O(1D) reaction and UV photodissociation is estimated to be >300, >10000, 700, and >4700 years, respectively. The stratospheric lifetime of SO2F2 is calculated using a two-dimensional model to be 630 years. The global warming potential (GWP) for SO2F2 was calculated to be 4780 for the 100 year time horizon using infrared absorption cross sections measured in this work and a SO2F2 globally averaged atmospheric lifetime of 36 years, which is determined primarily by ocean uptake, reported by Mühle et al. (Mühle, J.; Huang, J.; Weiss, R. F.; Prinn, R. G.; Miller, B. R.; Salameh, P. K.; Harth, C. M.; Fraser, P. J.; Porter, L. W.; Greally, B. R.; O'Doherty, S.; Simonds, P. G. J Geophys: Res., submitted for publication, 2008). Reaction channels and the possible formation of stable adducts in reactions 1 and 4 were evaluated using ab initio, CCSD(T), and density functional theory, B3P86, quantum mechanical electronic structure calculations. The most likely reaction product channels were found to be highly endothermic, consistent with the upper limits of the rate coefficients measured in this work.

Publication: J Phys Chem A 2008 Dec 11 ;112(49)::12657-66. :doi: 10.1021/jp806368u.
Publication Date: 2008 Dec 11
Study Author(s): Papadimitriou, Vassileios C;Portmann, R W;Fahey, David W;Mühle, Jens;Weiss, Ray F;Burkholder, James B;
Institution: Chemical Sciences DiVision, Earth System Research Laboratory, National Oceanic and AtmosphericAdministration, 325 Broadway, Boulder, Colorado 80305-3328, USA.
Shortcut link to this study:
In this work, potential atmospheric loss processes for SO2F2, a commercially used biocide (fumigant), have been studied and its global warming potential calculated. Rate coefficients for the gas-phase reactions OH + SO2F2 --> products, k1, and Cl + SO2F2 --> products, k4, were determined using a relative rate technique to be k1 < 1 x 10(-16) cm3 molecule-1 s-1 at 296 and 333 K and k4(296 K) < 5 x 10(-17) cm3 molecule(-1) s(-1). UV absorption cross sections of SO2F2 were measured at 184.9, 193, and 213.9 nm, and its photolysis quantum yield at 193 nm was determined to be <0.02. The atmospheric lifetime of SO2F2 with respect to loss by OH, Cl, and O(1D) reaction and UV photodissociation is estimated to be >300, >10000, 700, and >4700 years, respectively. The stratospheric lifetime of SO2F2 is calculated using a two-dimensional model to be 630 years. The global warming potential (GWP) for SO2F2 was calculated to be 4780 for the 100 year time horizon using infrared absorption cross sections measured in this work and a SO2F2 globally averaged atmospheric lifetime of 36 years, which is determined primarily by ocean uptake, reported by Mühle et al. (Mühle, J.; Huang, J.; Weiss, R. F.; Prinn, R. G.; Miller, B. R.; Salameh, P. K.; Harth, C. M.; Fraser, P. J.; Porter, L. W.; Greally, B. R.; O'Doherty, S.; Simonds, P. G. J Geophys: Res., submitted for publication, 2008). Reaction channels and the possible formation of stable adducts in reactions 1 and 4 were evaluated using ab initio, CCSD(T), and density functional theory, B3P86, quantum mechanical electronic structure calculations. The most likely reaction product channels were found to be highly endothermic, consistent with the upper limits of the rate coefficients measured in this work.
PMID: 19053541

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